Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 12 results

Search term: MPYLDWFDPHRTEG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8017549

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17+,20+,21-/m0/s1
C21H32N2O3360.4904313000
28521583

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/t14-,15-,16-,17+,20+,21-/m0/s1
C21H32N2O3360.4904131300
24695302

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13-/t14-,15-,16-,17+,20+,21-/m0/s1
C21H32N2O3360.49048500
23203080

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14?,15-,16?,17+,20+,21-/m0/s1
C21H32N2O3360.49042200
8039406

Double-bond stereo

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14?,15?,16?,17?,20-,21+/m1/s1
C21H32N2O3360.49042100
9275635

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17-,20+,21-/m0/s1
C21H32N2O3360.49042100
21375786

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13-/t14-,15-,16-,17?,20+,21-/m0/s1
C21H32N2O3360.49041140
31106799

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+
C21H32N2O3360.49041100
31106853

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3
C21H32N2O3360.49041100
114813827

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/t14-,15+,16-,17+,20+,21-/m0/s1
C21H32N2O3360.49041100

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